dbcsr_data_methods_low

DBCSR data methods

Uses

Variables

Type	Visibility	Attributes		Name		Initial
character(len=*),	private,	parameter	::	moduleN	=	'dbcsr_data_methods_low'
logical,	private,	parameter	::	careful_mod	=	.FALSE.
logical,	private,	parameter	::	debug_mod	=	.FALSE.

Interfaces

public interface dbcsr_scalar

Encapsulates a scalar.

private elemental function dbcsr_scalar_s(scalar) result(encapsulated_scalar)

Sets a scalar in an encapsulated data structure

Arguments

Type	Intent	Optional	Attributes		Name
real(kind=real_4),	intent(in)			::	scalar	scalar to encapsulate

Return Value type(dbcsr_scalar_type)

encapsulated scalar

private elemental function dbcsr_scalar_d(scalar) result(encapsulated_scalar)

Sets a scalar in an encapsulated data structure

Arguments

Type	Intent	Optional	Attributes		Name
real(kind=real_8),	intent(in)			::	scalar	scalar to encapsulate

Return Value type(dbcsr_scalar_type)

encapsulated scalar

private elemental function dbcsr_scalar_c(scalar) result(encapsulated_scalar)

Sets a scalar in an encapsulated data structure

Arguments

Type	Intent	Optional	Attributes		Name
complex(kind=real_4),	intent(in)			::	scalar	scalar to encapsulate

Return Value type(dbcsr_scalar_type)

encapsulated scalar

private elemental function dbcsr_scalar_z(scalar) result(encapsulated_scalar)

Sets a scalar in an encapsulated data structure

Arguments

Type	Intent	Optional	Attributes		Name
complex(kind=real_8),	intent(in)			::	scalar	scalar to encapsulate

Return Value type(dbcsr_scalar_type)

encapsulated scalar

public interface dbcsr_scalar_get_value

Encapsulates a scalar.

private elemental subroutine dbcsr_scalar_get_value_s(encapsulated_scalar, value)

Sets a scalar in an encapsulated data structure

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_scalar_type),	intent(in)			::	encapsulated_scalar	encapsulated scalar
real(kind=real_4),	intent(out)			::	value	value of the scalar

private elemental subroutine dbcsr_scalar_get_value_d(encapsulated_scalar, value)

Sets a scalar in an encapsulated data structure

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_scalar_type),	intent(in)			::	encapsulated_scalar	encapsulated scalar
real(kind=real_8),	intent(out)			::	value	value of the scalar

private elemental subroutine dbcsr_scalar_get_value_c(encapsulated_scalar, value)

Sets a scalar in an encapsulated data structure

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_scalar_type),	intent(in)			::	encapsulated_scalar	encapsulated scalar
complex(kind=real_4),	intent(out)			::	value	value of the scalar

private elemental subroutine dbcsr_scalar_get_value_z(encapsulated_scalar, value)

Sets a scalar in an encapsulated data structure

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_scalar_type),	intent(in)			::	encapsulated_scalar	encapsulated scalar
complex(kind=real_8),	intent(out)			::	value	value of the scalar

public interface dbcsr_data_set_pointer

private subroutine set_data_p_s(area, p)

Sets a data pointer.

Assumptions Assumes that no memory will be lost when repointing the pointer in the data area and that the area is initialized.

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(inout)			::	area	target data area
real(kind=real_4),			DIMENSION(:), POINTER, CONTIGUOUS	::	p	source data pointer

private subroutine set_data_p_d(area, p)

Sets a data pointer.

Assumptions Assumes that no memory will be lost when repointing the pointer in the data area and that the area is initialized.

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(inout)			::	area	target data area
real(kind=real_8),			DIMENSION(:), POINTER, CONTIGUOUS	::	p	source data pointer

private subroutine set_data_p_c(area, p)

Sets a data pointer.

Assumptions Assumes that no memory will be lost when repointing the pointer in the data area and that the area is initialized.

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(inout)			::	area	target data area
complex(kind=real_4),			DIMENSION(:), POINTER, CONTIGUOUS	::	p	source data pointer

private subroutine set_data_p_z(area, p)

Sets a data pointer.

Assumptions Assumes that no memory will be lost when repointing the pointer in the data area and that the area is initialized.

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(inout)			::	area	target data area
complex(kind=real_8),			DIMENSION(:), POINTER, CONTIGUOUS	::	p	source data pointer

private subroutine set_data_p_2d_s(area, p)

Sets a data pointer.

Assumptions Assumes that no memory will be lost when repointing the pointer in the data area and that the area is initialized.

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(inout)			::	area	target data area
real(kind=real_4),			DIMENSION(:, :), POINTER	::	p	source data pointer

private subroutine set_data_p_2d_d(area, p)

Sets a data pointer.

Assumptions Assumes that no memory will be lost when repointing the pointer in the data area and that the area is initialized.

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(inout)			::	area	target data area
real(kind=real_8),			DIMENSION(:, :), POINTER	::	p	source data pointer

private subroutine set_data_p_2d_c(area, p)

Sets a data pointer.

Assumptions Assumes that no memory will be lost when repointing the pointer in the data area and that the area is initialized.

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(inout)			::	area	target data area
complex(kind=real_4),			DIMENSION(:, :), POINTER	::	p	source data pointer

private subroutine set_data_p_2d_z(area, p)

Sets a data pointer.

Assumptions Assumes that no memory will be lost when repointing the pointer in the data area and that the area is initialized.

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(inout)			::	area	target data area
complex(kind=real_8),			DIMENSION(:, :), POINTER	::	p	source data pointer

private subroutine set_data_area_area(area, rsize, csize, pointee, source_lb)

Points data area data pointers to another data area Assumes that no memory will be lost when repointing the pointer in the data area and that the area is initialized.

Arguments

Type	Intent	Optional		Name
type(dbcsr_data_obj),	intent(inout)		::	area	data area to repoint
integer,	intent(in)		::	rsize	size of data area to point to size of data area to point to
integer,	intent(in)		::	csize	size of data area to point to size of data area to point to
type(dbcsr_data_obj),	intent(in)		::	pointee	data area to point to
integer,	intent(in),	optional	::	source_lb	point to this offset in pointee

public interface dbcsr_get_data

private subroutine get_data_s(area, DATA, lb, ub)

Returns the single/double precision real/complex data

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(in)			::	area	data area
real(kind=real_4),			DIMENSION(:), POINTER	::	DATA	pointer to data
integer,	intent(in),	optional		::	lb	lower bound for pointer upper bound for pointer
integer,	intent(in),	optional		::	ub	lower bound for pointer upper bound for pointer

private subroutine get_data_d(area, DATA, lb, ub)

Returns the single/double precision real/complex data

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(in)			::	area	data area
real(kind=real_8),			DIMENSION(:), POINTER	::	DATA	pointer to data
integer,	intent(in),	optional		::	lb	lower bound for pointer upper bound for pointer
integer,	intent(in),	optional		::	ub	lower bound for pointer upper bound for pointer

private subroutine get_data_c(area, DATA, lb, ub)

Returns the single/double precision real/complex data

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(in)			::	area	data area
complex(kind=real_4),			DIMENSION(:), POINTER	::	DATA	pointer to data
integer,	intent(in),	optional		::	lb	lower bound for pointer upper bound for pointer
integer,	intent(in),	optional		::	ub	lower bound for pointer upper bound for pointer

private subroutine get_data_z(area, DATA, lb, ub)

Returns the single/double precision real/complex data

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(in)			::	area	data area
complex(kind=real_8),			DIMENSION(:), POINTER	::	DATA	pointer to data
integer,	intent(in),	optional		::	lb	lower bound for pointer upper bound for pointer
integer,	intent(in),	optional		::	ub	lower bound for pointer upper bound for pointer

private subroutine get_data_2d_s(area, DATA, lb, ub)

Returns the single/double precision real/complex data

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(in)			::	area	data area
real(kind=real_4),			DIMENSION(:, :), POINTER	::	DATA	pointer to data
integer,	intent(in),	optional,	DIMENSION(2)	::	lb	lower bound for pointer upper bound for pointer
integer,	intent(in),	optional,	DIMENSION(2)	::	ub	lower bound for pointer upper bound for pointer

private subroutine get_data_2d_d(area, DATA, lb, ub)

Returns the single/double precision real/complex data

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(in)			::	area	data area
real(kind=real_8),			DIMENSION(:, :), POINTER	::	DATA	pointer to data
integer,	intent(in),	optional,	DIMENSION(2)	::	lb	lower bound for pointer upper bound for pointer
integer,	intent(in),	optional,	DIMENSION(2)	::	ub	lower bound for pointer upper bound for pointer

private subroutine get_data_2d_c(area, DATA, lb, ub)

Returns the single/double precision real/complex data

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(in)			::	area	data area
complex(kind=real_4),			DIMENSION(:, :), POINTER	::	DATA	pointer to data
integer,	intent(in),	optional,	DIMENSION(2)	::	lb	lower bound for pointer upper bound for pointer
integer,	intent(in),	optional,	DIMENSION(2)	::	ub	lower bound for pointer upper bound for pointer

private subroutine get_data_2d_z(area, DATA, lb, ub)

Returns the single/double precision real/complex data

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(in)			::	area	data area
complex(kind=real_8),			DIMENSION(:, :), POINTER	::	DATA	pointer to data
integer,	intent(in),	optional,	DIMENSION(2)	::	lb	lower bound for pointer upper bound for pointer
integer,	intent(in),	optional,	DIMENSION(2)	::	ub	lower bound for pointer upper bound for pointer

public interface dbcsr_get_data_p

private function dbcsr_get_data_c_s(area, select_data_type, lb, ub) result(DATA)

Returns the single/double precision real/complex data

Calling This routine is hidden behind the dbcsr_get_data interface, hence the need for the select_data_type argument. see dbcsr_get_data_p_s

Arguments

Type	Intent	Optional		Name
type(dbcsr_data_obj),	intent(in)		::	area	data area
real(kind=real_4),	intent(in)		::	select_data_type	force datatype
integer,	intent(in),	optional	::	lb	lower bound for pointer upper bound for pointer
integer,	intent(in),	optional	::	ub	lower bound for pointer upper bound for pointer

Return Value real(kind=real_4), DIMENSION(:), POINTER

pointer to data

private function dbcsr_get_data_c_c(area, select_data_type, lb, ub) result(DATA)

Returns the single/double precision real/complex data

Calling This routine is hidden behind the dbcsr_get_data interface, hence the need for the select_data_type argument. see dbcsr_get_data_p_c

Arguments

Type	Intent	Optional		Name
type(dbcsr_data_obj),	intent(in)		::	area	data area
complex(kind=real_4),	intent(in)		::	select_data_type	force datatype
integer,	intent(in),	optional	::	lb	lower bound for pointer upper bound for pointer
integer,	intent(in),	optional	::	ub	lower bound for pointer upper bound for pointer

Return Value complex(kind=real_4), DIMENSION(:), POINTER

pointer to data

private function dbcsr_get_data_c_d(area, select_data_type, lb, ub) result(DATA)

Returns the single/double precision real/complex data

Calling This routine is hidden behind the dbcsr_get_data interface, hence the need for the select_data_type argument. see dbcsr_get_data_p_d

Arguments

Type	Intent	Optional		Name
type(dbcsr_data_obj),	intent(in)		::	area	data area
real(kind=real_8),	intent(in)		::	select_data_type	force datatype
integer,	intent(in),	optional	::	lb	lower bound for pointer upper bound for pointer
integer,	intent(in),	optional	::	ub	lower bound for pointer upper bound for pointer

Return Value real(kind=real_8), DIMENSION(:), POINTER

pointer to data

private function dbcsr_get_data_c_z(area, select_data_type, lb, ub) result(DATA)

Returns the single/double precision real/complex data

Calling This routine is hidden behind the dbcsr_get_data interface, hence the need for the select_data_type argument. see dbcsr_get_data_p_z

Arguments

Type	Intent	Optional		Name
type(dbcsr_data_obj),	intent(in)		::	area	data area
complex(kind=real_8),	intent(in)		::	select_data_type	force datatype
integer,	intent(in),	optional	::	lb	lower bound for pointer upper bound for pointer
integer,	intent(in),	optional	::	ub	lower bound for pointer upper bound for pointer

Return Value complex(kind=real_8), DIMENSION(:), POINTER

pointer to data

private interface dbcsr_get_data_cptr

private function dbcsr_get_data_c_s(area, select_data_type, lb, ub) result(DATA)

Returns the single/double precision real/complex data

Calling This routine is hidden behind the dbcsr_get_data interface, hence the need for the select_data_type argument. see dbcsr_get_data_p_s

Arguments

Type	Intent	Optional		Name
type(dbcsr_data_obj),	intent(in)		::	area	data area
real(kind=real_4),	intent(in)		::	select_data_type	force datatype
integer,	intent(in),	optional	::	lb	lower bound for pointer upper bound for pointer
integer,	intent(in),	optional	::	ub	lower bound for pointer upper bound for pointer

Return Value real(kind=real_4), DIMENSION(:), POINTER

pointer to data

private function dbcsr_get_data_c_c(area, select_data_type, lb, ub) result(DATA)

Returns the single/double precision real/complex data

Calling This routine is hidden behind the dbcsr_get_data interface, hence the need for the select_data_type argument. see dbcsr_get_data_p_c

Arguments

Type	Intent	Optional		Name
type(dbcsr_data_obj),	intent(in)		::	area	data area
complex(kind=real_4),	intent(in)		::	select_data_type	force datatype
integer,	intent(in),	optional	::	lb	lower bound for pointer upper bound for pointer
integer,	intent(in),	optional	::	ub	lower bound for pointer upper bound for pointer

Return Value complex(kind=real_4), DIMENSION(:), POINTER

pointer to data

private function dbcsr_get_data_c_d(area, select_data_type, lb, ub) result(DATA)

Returns the single/double precision real/complex data

Calling This routine is hidden behind the dbcsr_get_data interface, hence the need for the select_data_type argument. see dbcsr_get_data_p_d

Arguments

Type	Intent	Optional		Name
type(dbcsr_data_obj),	intent(in)		::	area	data area
real(kind=real_8),	intent(in)		::	select_data_type	force datatype
integer,	intent(in),	optional	::	lb	lower bound for pointer upper bound for pointer
integer,	intent(in),	optional	::	ub	lower bound for pointer upper bound for pointer

Return Value real(kind=real_8), DIMENSION(:), POINTER

pointer to data

private function dbcsr_get_data_c_z(area, select_data_type, lb, ub) result(DATA)

Returns the single/double precision real/complex data

Calling This routine is hidden behind the dbcsr_get_data interface, hence the need for the select_data_type argument. see dbcsr_get_data_p_z

Arguments

Type	Intent	Optional		Name
type(dbcsr_data_obj),	intent(in)		::	area	data area
complex(kind=real_8),	intent(in)		::	select_data_type	force datatype
integer,	intent(in),	optional	::	lb	lower bound for pointer upper bound for pointer
integer,	intent(in),	optional	::	ub	lower bound for pointer upper bound for pointer

Return Value complex(kind=real_8), DIMENSION(:), POINTER

pointer to data

public interface dbcsr_data_get_sizes

private subroutine dbcsr_data_get_sizes_any(area, sizes, valid)

Returns the allocated data size

Arguments

Type	Intent	Attributes		Name
type(dbcsr_data_obj),	intent(in)		::	area	data area to query for size
integer,	intent(out),	DIMENSION(:)	::	sizes	array with the data sizes
logical,	intent(out)		::	valid	whether the data is actually allocated

private subroutine dbcsr_data_get_sizes_1(area, total_size, valid)

Returns the allocated data size

Arguments

Type	Intent		Name
type(dbcsr_data_obj),	intent(in)	::	area	data area to query for size
integer,	intent(out)	::	total_size	size of array
logical,	intent(out)	::	valid	whether the data is actually allocated

private subroutine dbcsr_data_get_sizes_2(area, row_size, col_size, valid)

Returns the allocated data size

Arguments

Type	Intent		Name
type(dbcsr_data_obj),	intent(in)	::	area	data area to query for size, should be 2-D
integer,	intent(out)	::	row_size	row size column size
integer,	intent(out)	::	col_size	row size column size
logical,	intent(out)	::	valid	whether the data is actually allocated

Functions

public pure function dbcsr_data_get_type(area) result(data_type)

Returns data type of a data area

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(in)			::	area	data area

Return Value integer

data type of the data area

public function dbcsr_data_get_memory_type(area) result(memory_type)

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(in)			::	area

Return Value type(dbcsr_memtype_type)

public elemental function dbcsr_data_valid(area) result(valid)

Checks whether a data area is valid

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(in)			::	area	data area

Return Value logical

whether the data area is valid

public function dbcsr_data_exists(area) result(valid)

Checks whether a data pointer exists

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(in)			::	area	data area

Return Value logical

whether the data pointer exists

public function dbcsr_data_get_size(area) result(data_size)

Returns the allocated data size

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(in)			::	area	data area

Return Value integer

size of data

public elemental function dbcsr_scalar_one(data_type) result(one)

Returns an encapsulated scalar "1"

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	data_type	use the data type

Return Value type(dbcsr_scalar_type)

encapsulated value of one

public elemental function dbcsr_scalar_zero(data_type) result(zero)

Returns an encapsulated scalar "0"

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	data_type	use the data type

Return Value type(dbcsr_scalar_type)

encapsulated value of zero

public elemental function dbcsr_scalar_are_equal(s1, s2) result(are_equal)

Returns whether an encapsulated scalar is equal to another value

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_scalar_type),	intent(in)			::	s1	one value another value
type(dbcsr_scalar_type),	intent(in)			::	s2	one value another value

Return Value logical

whether values are equal

public elemental function dbcsr_scalar_negative(s) result(negated)

Returns an encapsulated scalar as a negation of the given

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_scalar_type),	intent(in)			::	s	given value

Return Value type(dbcsr_scalar_type)

negated value

public elemental function dbcsr_scalar_multiply(s1, s2) result(s_product)

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_scalar_type),	intent(in)			::	s1
type(dbcsr_scalar_type),	intent(in)			::	s2

Return Value type(dbcsr_scalar_type)

public elemental function dbcsr_scalar_get_type(scalar) result(data_type)

Returns data type of a scalar

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_scalar_type),	intent(in)			::	scalar	scalar

Return Value integer

data type of the scalar

public pure function dbcsr_type_is_2d(data_type)

Checks whether the data type is 2-D. \return Data type is 2-D.

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	data_type

Return Value logical

public pure function dbcsr_type_2d_to_1d(data_type)

Returns 1-d data type corresponding to the given 2-D one. \return 1-D data type

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	data_type

Return Value integer

public pure function dbcsr_type_1d_to_2d(data_type)

Returns 2-D data type corresponding to the given 1-D one. \return 2-D data type

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	data_type

Return Value integer

public pure function dbcsr_data_get_size_referenced(area) result(data_size_referenced)

Get actual data storage used for matrix

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(in)			::	area	Count data of this matrix

Return Value integer

Data size used by matrix

private function dbcsr_get_data_c_d(area, select_data_type, lb, ub) result(DATA)

Returns the single/double precision real/complex data

Arguments

Type	Intent	Optional		Name
type(dbcsr_data_obj),	intent(in)		::	area	data area
real(kind=real_8),	intent(in)		::	select_data_type	force datatype
integer,	intent(in),	optional	::	lb	lower bound for pointer upper bound for pointer
integer,	intent(in),	optional	::	ub	lower bound for pointer upper bound for pointer

Return Value real(kind=real_8), DIMENSION(:), POINTER

pointer to data

public function dbcsr_get_data_p_d(area, lb, ub) result(DATA)

Returns the single/double precision real/complex data \brief dbcsr_get_data_c_d

Arguments

Type	Intent	Optional		Name
type(dbcsr_data_obj),	intent(in)		::	area	data area
integer,	intent(in),	optional	::	lb	lower bound for pointer upper bound for pointer
integer,	intent(in),	optional	::	ub	lower bound for pointer upper bound for pointer

Return Value real(kind=real_8), DIMENSION(:), POINTER, CONTIGUOUS

pointer to data

public function dbcsr_get_data_p_2d_d(area, lb, ub) result(DATA)

Returns the single/double precision real/complex data \brief dbcsr_get_data_c_d

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(in)			::	area	data area
integer,	intent(in),	optional,	DIMENSION(2)	::	lb	lower bound for pointer upper bound for pointer
integer,	intent(in),	optional,	DIMENSION(2)	::	ub	lower bound for pointer upper bound for pointer

Return Value real(kind=real_8), DIMENSION(:, :), POINTER

pointer to data

private elemental function dbcsr_scalar_d(scalar) result(encapsulated_scalar)

Sets a scalar in an encapsulated data structure

Arguments

Type	Intent	Optional	Attributes		Name
real(kind=real_8),	intent(in)			::	scalar	scalar to encapsulate

Return Value type(dbcsr_scalar_type)

encapsulated scalar

private function dbcsr_get_data_c_s(area, select_data_type, lb, ub) result(DATA)

Returns the single/double precision real/complex data

Arguments

Type	Intent	Optional		Name
type(dbcsr_data_obj),	intent(in)		::	area	data area
real(kind=real_4),	intent(in)		::	select_data_type	force datatype
integer,	intent(in),	optional	::	lb	lower bound for pointer upper bound for pointer
integer,	intent(in),	optional	::	ub	lower bound for pointer upper bound for pointer

Return Value real(kind=real_4), DIMENSION(:), POINTER

pointer to data

public function dbcsr_get_data_p_s(area, lb, ub) result(DATA)

Returns the single/double precision real/complex data \brief dbcsr_get_data_c_s

Arguments

Type	Intent	Optional		Name
type(dbcsr_data_obj),	intent(in)		::	area	data area
integer,	intent(in),	optional	::	lb	lower bound for pointer upper bound for pointer
integer,	intent(in),	optional	::	ub	lower bound for pointer upper bound for pointer

Return Value real(kind=real_4), DIMENSION(:), POINTER, CONTIGUOUS

pointer to data

public function dbcsr_get_data_p_2d_s(area, lb, ub) result(DATA)

Returns the single/double precision real/complex data \brief dbcsr_get_data_c_s

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(in)			::	area	data area
integer,	intent(in),	optional,	DIMENSION(2)	::	lb	lower bound for pointer upper bound for pointer
integer,	intent(in),	optional,	DIMENSION(2)	::	ub	lower bound for pointer upper bound for pointer

Return Value real(kind=real_4), DIMENSION(:, :), POINTER

pointer to data

private elemental function dbcsr_scalar_s(scalar) result(encapsulated_scalar)

Sets a scalar in an encapsulated data structure

Arguments

Type	Intent	Optional	Attributes		Name
real(kind=real_4),	intent(in)			::	scalar	scalar to encapsulate

Return Value type(dbcsr_scalar_type)

encapsulated scalar

private function dbcsr_get_data_c_z(area, select_data_type, lb, ub) result(DATA)

Returns the single/double precision real/complex data

Arguments

Type	Intent	Optional		Name
type(dbcsr_data_obj),	intent(in)		::	area	data area
complex(kind=real_8),	intent(in)		::	select_data_type	force datatype
integer,	intent(in),	optional	::	lb	lower bound for pointer upper bound for pointer
integer,	intent(in),	optional	::	ub	lower bound for pointer upper bound for pointer

Return Value complex(kind=real_8), DIMENSION(:), POINTER

pointer to data

public function dbcsr_get_data_p_z(area, lb, ub) result(DATA)

Returns the single/double precision real/complex data \brief dbcsr_get_data_c_z

Arguments

Type	Intent	Optional		Name
type(dbcsr_data_obj),	intent(in)		::	area	data area
integer,	intent(in),	optional	::	lb	lower bound for pointer upper bound for pointer
integer,	intent(in),	optional	::	ub	lower bound for pointer upper bound for pointer

Return Value complex(kind=real_8), DIMENSION(:), POINTER, CONTIGUOUS

pointer to data

public function dbcsr_get_data_p_2d_z(area, lb, ub) result(DATA)

Returns the single/double precision real/complex data \brief dbcsr_get_data_c_z

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(in)			::	area	data area
integer,	intent(in),	optional,	DIMENSION(2)	::	lb	lower bound for pointer upper bound for pointer
integer,	intent(in),	optional,	DIMENSION(2)	::	ub	lower bound for pointer upper bound for pointer

Return Value complex(kind=real_8), DIMENSION(:, :), POINTER

pointer to data

private elemental function dbcsr_scalar_z(scalar) result(encapsulated_scalar)

Sets a scalar in an encapsulated data structure

Arguments

Type	Intent	Optional	Attributes		Name
complex(kind=real_8),	intent(in)			::	scalar	scalar to encapsulate

Return Value type(dbcsr_scalar_type)

encapsulated scalar

private function dbcsr_get_data_c_c(area, select_data_type, lb, ub) result(DATA)

Returns the single/double precision real/complex data

Arguments

Type	Intent	Optional		Name
type(dbcsr_data_obj),	intent(in)		::	area	data area
complex(kind=real_4),	intent(in)		::	select_data_type	force datatype
integer,	intent(in),	optional	::	lb	lower bound for pointer upper bound for pointer
integer,	intent(in),	optional	::	ub	lower bound for pointer upper bound for pointer

Return Value complex(kind=real_4), DIMENSION(:), POINTER

pointer to data

public function dbcsr_get_data_p_c(area, lb, ub) result(DATA)

Returns the single/double precision real/complex data \brief dbcsr_get_data_c_c

Arguments

Type	Intent	Optional		Name
type(dbcsr_data_obj),	intent(in)		::	area	data area
integer,	intent(in),	optional	::	lb	lower bound for pointer upper bound for pointer
integer,	intent(in),	optional	::	ub	lower bound for pointer upper bound for pointer

Return Value complex(kind=real_4), DIMENSION(:), POINTER, CONTIGUOUS

pointer to data

public function dbcsr_get_data_p_2d_c(area, lb, ub) result(DATA)

Returns the single/double precision real/complex data \brief dbcsr_get_data_c_c

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(in)			::	area	data area
integer,	intent(in),	optional,	DIMENSION(2)	::	lb	lower bound for pointer upper bound for pointer
integer,	intent(in),	optional,	DIMENSION(2)	::	ub	lower bound for pointer upper bound for pointer

Return Value complex(kind=real_4), DIMENSION(:, :), POINTER

pointer to data

private elemental function dbcsr_scalar_c(scalar) result(encapsulated_scalar)

Sets a scalar in an encapsulated data structure

Arguments

Type	Intent	Optional	Attributes		Name
complex(kind=real_4),	intent(in)			::	scalar	scalar to encapsulate

Return Value type(dbcsr_scalar_type)

encapsulated scalar

Subroutines

public subroutine dbcsr_data_init(area)

Initializes a data area

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(inout)			::	area	data area

public subroutine internal_data_allocate(area, sizes)

Allocates pointers in the data type

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_area_type),	intent(inout)			::	area	internal structure holding array pointers
integer,	intent(in),		DIMENSION(:), CONTIGUOUS	::	sizes	sizes to allocate to

public subroutine internal_data_deallocate(area)

Allocates pointers in the data type

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_area_type),	intent(inout)			::	area	internal structure holding array pointers

public subroutine dbcsr_data_clear_pointer(area)

Clears pointers from the data area.

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(inout)			::	area	data area

public subroutine dbcsr_data_hold(area)

Registers another use of the data area

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(inout)			::	area	data area

private subroutine set_data_area_area(area, rsize, csize, pointee, source_lb)

Points data area data pointers to another data area Assumes that no memory will be lost when repointing the pointer in the data area and that the area is initialized.

Arguments

Type	Intent	Optional		Name
type(dbcsr_data_obj),	intent(inout)		::	area	data area to repoint
integer,	intent(in)		::	rsize	size of data area to point to size of data area to point to
integer,	intent(in)		::	csize	size of data area to point to size of data area to point to
type(dbcsr_data_obj),	intent(in)		::	pointee	data area to point to
integer,	intent(in),	optional	::	source_lb	point to this offset in pointee

public subroutine dbcsr_data_verify_bounds(area, lb, ub)

Verifies bounds of a data area

Arguments

Type	Intent	Attributes		Name
type(dbcsr_data_obj),	intent(in)		::	area	Data area
integer,	intent(in),	DIMENSION(:)	::	lb	lower bounds upper bounds
integer,	intent(in),	DIMENSION(:)	::	ub	lower bounds upper bounds

public subroutine dbcsr_data_zero(area, lb, ub)

Clears a part of the data area

Arguments

Type	Intent	Attributes		Name
type(dbcsr_data_obj),	intent(inout)		::	area	data area
integer,	intent(in),	DIMENSION(:)	::	lb
integer,	intent(in),	DIMENSION(:)	::	ub

private subroutine dbcsr_data_get_sizes_any(area, sizes, valid)

Returns the allocated data size

Arguments

Type	Intent	Attributes		Name
type(dbcsr_data_obj),	intent(in)		::	area	data area to query for size
integer,	intent(out),	DIMENSION(:)	::	sizes	array with the data sizes
logical,	intent(out)		::	valid	whether the data is actually allocated

private subroutine dbcsr_data_get_sizes_2(area, row_size, col_size, valid)

Returns the allocated data size

Arguments

Type	Intent		Name
type(dbcsr_data_obj),	intent(in)	::	area	data area to query for size, should be 2-D
integer,	intent(out)	::	row_size	row size column size
integer,	intent(out)	::	col_size	row size column size
logical,	intent(out)	::	valid	whether the data is actually allocated

private subroutine dbcsr_data_get_sizes_1(area, total_size, valid)

Returns the allocated data size

Arguments

Type	Intent		Name
type(dbcsr_data_obj),	intent(in)	::	area	data area to query for size
integer,	intent(out)	::	total_size	size of array
logical,	intent(out)	::	valid	whether the data is actually allocated

public elemental subroutine dbcsr_scalar_set_type(scalar, data_type)

Sets data type of a scalar

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_scalar_type),	intent(inout)			::	scalar	scalar
integer,	intent(in)			::	data_type

public elemental subroutine dbcsr_scalar_fill_all(scalar)

Fills all data and precision types from the set one

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_scalar_type),	intent(inout)			::	scalar	data area

public pure subroutine dbcsr_data_set_size_referenced(data_area, referenced_size)

Sets the referenced size of the data area

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(inout)			::	data_area	area for which to set referenced data size
integer,	intent(in)			::	referenced_size	set referenced data size to this value

private subroutine set_data_p_d(area, p)

Sets a data pointer.

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(inout)			::	area	target data area
real(kind=real_8),			DIMENSION(:), POINTER, CONTIGUOUS	::	p	source data pointer

private subroutine set_data_p_2d_d(area, p)

Sets a data pointer.

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(inout)			::	area	target data area
real(kind=real_8),			DIMENSION(:, :), POINTER	::	p	source data pointer

private subroutine get_data_d(area, DATA, lb, ub)

Returns the single/double precision real/complex data

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(in)			::	area	data area
real(kind=real_8),			DIMENSION(:), POINTER	::	DATA	pointer to data
integer,	intent(in),	optional		::	lb	lower bound for pointer upper bound for pointer
integer,	intent(in),	optional		::	ub	lower bound for pointer upper bound for pointer

private subroutine get_data_2d_d(area, DATA, lb, ub)

Returns the single/double precision real/complex data

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(in)			::	area	data area
real(kind=real_8),			DIMENSION(:, :), POINTER	::	DATA	pointer to data
integer,	intent(in),	optional,	DIMENSION(2)	::	lb	lower bound for pointer upper bound for pointer
integer,	intent(in),	optional,	DIMENSION(2)	::	ub	lower bound for pointer upper bound for pointer

private elemental subroutine dbcsr_scalar_get_value_d(encapsulated_scalar, value)

Sets a scalar in an encapsulated data structure

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_scalar_type),	intent(in)			::	encapsulated_scalar	encapsulated scalar
real(kind=real_8),	intent(out)			::	value	value of the scalar

private subroutine set_data_p_s(area, p)

Sets a data pointer.

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(inout)			::	area	target data area
real(kind=real_4),			DIMENSION(:), POINTER, CONTIGUOUS	::	p	source data pointer

private subroutine set_data_p_2d_s(area, p)

Sets a data pointer.

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(inout)			::	area	target data area
real(kind=real_4),			DIMENSION(:, :), POINTER	::	p	source data pointer

private subroutine get_data_s(area, DATA, lb, ub)

Returns the single/double precision real/complex data

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(in)			::	area	data area
real(kind=real_4),			DIMENSION(:), POINTER	::	DATA	pointer to data
integer,	intent(in),	optional		::	lb	lower bound for pointer upper bound for pointer
integer,	intent(in),	optional		::	ub	lower bound for pointer upper bound for pointer

private subroutine get_data_2d_s(area, DATA, lb, ub)

Returns the single/double precision real/complex data

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(in)			::	area	data area
real(kind=real_4),			DIMENSION(:, :), POINTER	::	DATA	pointer to data
integer,	intent(in),	optional,	DIMENSION(2)	::	lb	lower bound for pointer upper bound for pointer
integer,	intent(in),	optional,	DIMENSION(2)	::	ub	lower bound for pointer upper bound for pointer

private elemental subroutine dbcsr_scalar_get_value_s(encapsulated_scalar, value)

Sets a scalar in an encapsulated data structure

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_scalar_type),	intent(in)			::	encapsulated_scalar	encapsulated scalar
real(kind=real_4),	intent(out)			::	value	value of the scalar

private subroutine set_data_p_z(area, p)

Sets a data pointer.

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(inout)			::	area	target data area
complex(kind=real_8),			DIMENSION(:), POINTER, CONTIGUOUS	::	p	source data pointer

private subroutine set_data_p_2d_z(area, p)

Sets a data pointer.

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(inout)			::	area	target data area
complex(kind=real_8),			DIMENSION(:, :), POINTER	::	p	source data pointer

private subroutine get_data_z(area, DATA, lb, ub)

Returns the single/double precision real/complex data

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(in)			::	area	data area
complex(kind=real_8),			DIMENSION(:), POINTER	::	DATA	pointer to data
integer,	intent(in),	optional		::	lb	lower bound for pointer upper bound for pointer
integer,	intent(in),	optional		::	ub	lower bound for pointer upper bound for pointer

private subroutine get_data_2d_z(area, DATA, lb, ub)

Returns the single/double precision real/complex data

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(in)			::	area	data area
complex(kind=real_8),			DIMENSION(:, :), POINTER	::	DATA	pointer to data
integer,	intent(in),	optional,	DIMENSION(2)	::	lb	lower bound for pointer upper bound for pointer
integer,	intent(in),	optional,	DIMENSION(2)	::	ub	lower bound for pointer upper bound for pointer

private elemental subroutine dbcsr_scalar_get_value_z(encapsulated_scalar, value)

Sets a scalar in an encapsulated data structure

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_scalar_type),	intent(in)			::	encapsulated_scalar	encapsulated scalar
complex(kind=real_8),	intent(out)			::	value	value of the scalar

private subroutine set_data_p_c(area, p)

Sets a data pointer.

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(inout)			::	area	target data area
complex(kind=real_4),			DIMENSION(:), POINTER, CONTIGUOUS	::	p	source data pointer

private subroutine set_data_p_2d_c(area, p)

Sets a data pointer.

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(inout)			::	area	target data area
complex(kind=real_4),			DIMENSION(:, :), POINTER	::	p	source data pointer

private subroutine get_data_c(area, DATA, lb, ub)

Returns the single/double precision real/complex data

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(in)			::	area	data area
complex(kind=real_4),			DIMENSION(:), POINTER	::	DATA	pointer to data
integer,	intent(in),	optional		::	lb	lower bound for pointer upper bound for pointer
integer,	intent(in),	optional		::	ub	lower bound for pointer upper bound for pointer

private subroutine get_data_2d_c(area, DATA, lb, ub)

Returns the single/double precision real/complex data

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_data_obj),	intent(in)			::	area	data area
complex(kind=real_4),			DIMENSION(:, :), POINTER	::	DATA	pointer to data
integer,	intent(in),	optional,	DIMENSION(2)	::	lb	lower bound for pointer upper bound for pointer
integer,	intent(in),	optional,	DIMENSION(2)	::	ub	lower bound for pointer upper bound for pointer

private elemental subroutine dbcsr_scalar_get_value_c(encapsulated_scalar, value)

Sets a scalar in an encapsulated data structure

Arguments

Type	Intent	Optional	Attributes		Name
type(dbcsr_scalar_type),	intent(in)			::	encapsulated_scalar	encapsulated scalar
complex(kind=real_4),	intent(out)			::	value	value of the scalar

dbcsr_data_methods_low Module

Contents

Variables

Interfaces

Functions

Subroutines

Uses

Variables

Interfaces

public interface dbcsr_scalar

private elemental function dbcsr_scalar_s(scalar) result(encapsulated_scalar)

Arguments

Return Value type(dbcsr_scalar_type)

private elemental function dbcsr_scalar_d(scalar) result(encapsulated_scalar)

Arguments

Return Value type(dbcsr_scalar_type)

private elemental function dbcsr_scalar_c(scalar) result(encapsulated_scalar)

Arguments

Return Value type(dbcsr_scalar_type)

private elemental function dbcsr_scalar_z(scalar) result(encapsulated_scalar)

Arguments

Return Value type(dbcsr_scalar_type)

public interface dbcsr_scalar_get_value

private elemental subroutine dbcsr_scalar_get_value_s(encapsulated_scalar, value)

Arguments

private elemental subroutine dbcsr_scalar_get_value_d(encapsulated_scalar, value)

Arguments

private elemental subroutine dbcsr_scalar_get_value_c(encapsulated_scalar, value)

Arguments

private elemental subroutine dbcsr_scalar_get_value_z(encapsulated_scalar, value)

Arguments

public interface dbcsr_data_set_pointer

private subroutine set_data_p_s(area, p)

Arguments

private subroutine set_data_p_d(area, p)

Arguments

private subroutine set_data_p_c(area, p)

Arguments

private subroutine set_data_p_z(area, p)

Arguments

private subroutine set_data_p_2d_s(area, p)

Arguments

private subroutine set_data_p_2d_d(area, p)

Arguments

private subroutine set_data_p_2d_c(area, p)

Arguments

private subroutine set_data_p_2d_z(area, p)

Arguments

private subroutine set_data_area_area(area, rsize, csize, pointee, source_lb)

Arguments

public interface dbcsr_get_data

private subroutine get_data_s(area, DATA, lb, ub)

Arguments

private subroutine get_data_d(area, DATA, lb, ub)

Arguments

private subroutine get_data_c(area, DATA, lb, ub)

Arguments

private subroutine get_data_z(area, DATA, lb, ub)

Arguments

private subroutine get_data_2d_s(area, DATA, lb, ub)

Arguments

private subroutine get_data_2d_d(area, DATA, lb, ub)

Arguments

private subroutine get_data_2d_c(area, DATA, lb, ub)

Arguments

private subroutine get_data_2d_z(area, DATA, lb, ub)

Arguments

public interface dbcsr_get_data_p

private function dbcsr_get_data_c_s(area, select_data_type, lb, ub) result(DATA)

Arguments

Return Value real(kind=real_4), DIMENSION(:), POINTER

private function dbcsr_get_data_c_c(area, select_data_type, lb, ub) result(DATA)

Arguments

Return Value complex(kind=real_4), DIMENSION(:), POINTER

private function dbcsr_get_data_c_d(area, select_data_type, lb, ub) result(DATA)

Arguments

Return Value real(kind=real_8), DIMENSION(:), POINTER

private function dbcsr_get_data_c_z(area, select_data_type, lb, ub) result(DATA)

Arguments

Return Value complex(kind=real_8), DIMENSION(:), POINTER